Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "562df1fceca9a0f67be8bed782a2c7e4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.401,
"b": 96.898,
"c": 57.984,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.780],
"number_observations": 148360,
"number_observations_unique": 22625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 7589,
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 1.004
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [28.990,8.890],
"number_observations": 1302,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 75.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}